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Heavy metals in water sources can threaten human life and the environment. The analysis time, need for chemical reagents, and sample amount per analysis assist in monitoring contaminants. Application of the Fourier Transform Infrared (FT-IR) Spectroscopy for the investigation of heavy metal elements has significantly developed due to its cost effectiveness and accuracy. Use of chemometric models such as Partial Least Square (PLS) and Principle Component Regression Analysis (PCA) relate the multiple spectral intensities from numerous calibration samples to the recognized analytes. This study focused on the FT-IR calibration and quantification of heavy metals (Ag, Cd, Cu, Pb and Zn) in surveyed water sources. FT-IR measurements were compared with the atomic absorption spectrometer (AAS) measurements. Quantitative analysis methods, PCA and PLS, were used in the FT-IR calibration. The spectral analyses were done using the Attenuated Total Reflectance (ATR-FTIR) technique on three river and four borehole water sources sampled within two seasons in QwaQwa, South Africa (SA). The PLS models had good R2 values ranging from 0.95 to 1 and the PCA models ranged from 0.98 to 0.99. Significant differences were seen at 0.001 and 0.05 levels between the PLS and PCA models for detecting Cd and Pb in the water samples. The PCA models detected Ag concentrations more (˂0 mg L−1 on selected sites). Both the PLS and PCA models had lower detection only for Zn ions mostly above 45 mg L−1 deviating from the AAS measurements (&lt;0.020 mg L−1). The FT-IR spectroscopy demonstrated good potential for heavy metal determination purposes.

Sensitivity and Calibration of the FT-IR Spectroscopy on Concentration of Heavy Metal Ions in River and Borehole Water Sources